Geometry & MOs

Info

ID:	157505
PubChem CID:	56435311
Reduced:	N2O3C22H28 (1)
Stoich.:	A2B3C22D28 (1)
Weight, g/mol:	440.222369
ΔH_f, kcal/mol:	-115.05
Dipole, Da:	2.46
IP(EA), eV:	-8.33(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-fluorophenyl)-4-[2-(3-methylbutanoylamino)-2-phenylacetyl]piperazine-1-carboxamide

Drug info:

PubChemData

Smile

CC(C)CC(=O)NC(C1=CC=CC=C1)C(=O)NC2=CC=C(C=C2)OC(C)C

DOS

IR

Vibrations